SCHEMBL28529532

SCHEMBL28529532

CC=CCC(CO)OC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CTSK P43235 2/20 0.33
PRKCA P17252 4/20 0.32
PRKCE Q02156 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2480097 0.76
SCHEMBL28533294 0.76 GRIK1 (0.33) GRIK1GRIK2MAPTMAPK1LMNA
SCHEMBL28529440 0.76 GRIK1 (0.33) GRIK1GRIK2MAPTMAPK1LMNA
SCHEMBL28765755 0.76 LMNA (0.48) GRIK1GRIK2MAPTLMNACHRM2
SCHEMBL28529438 0.76 GRIK1 (0.33) GRIK1GRIK2MAPTMAPK1LMNA
SCHEMBL28412245 0.73
SCHEMBL28409399 0.73
SCHEMBL871939 0.73
SCHEMBL22747790 0.71 PRKCA (0.42) MAPTMAPK1LMNACHRM2CHRM4
SCHEMBL28965206 0.71 PRKCA (0.42) MAPTMAPK1LMNACHRM2CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112351778-B Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed
CN-112351778-A Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2021-02-09 CN disclosed